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1,2,8-Naphthalenetriol, decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, [1S-(1.alpha.,2.beta.,4a.beta.,7.beta.,8.alpha.,8a.alpha.)]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,2,8-Naphthalenetriol, decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, [1S-(1.alpha.,2.beta.,4a.beta.,7.beta.,8.alpha.,8a.alpha.)]-
SpectraBase Compound ID LS7Bn4EnvmE
InChI InChI=1S/C15H28O4/c1-13(2,18)9-5-7-14(3)8-6-10(16)15(4,19)12(14)11(9)17/h9-12,16-19H,5-8H2,1-4H3/t9-,10+,11+,12-,14+,15-/m1/s1
InChIKey BZKYJRNQZFWJTD-NBVFDPJVSA-N
Mol Weight 272.38 g/mol
Molecular Formula C15H28O4
Exact Mass 272.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5K39zRMWIV9
Name 1,2,8-Naphthalenetriol, decahydro-7-(1-hydroxy-1-methylethyl)-1,4A-dimethyl-, [1S-(1.alpha.,2.beta.,4A.beta.,7.beta.,8.alpha.,8A.alpha.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.198759378 u
Formula C15H28O4
InChI InChI=1S/C15H28O4/c1-13(2,18)9-5-7-14(3)8-6-10(16)15(4,19)12(14)11(9)17/h9-12,16-19H,5-8H2,1-4H3/t9-,10+,11+,12-,14+,15-/m1/s1
InChIKey BZKYJRNQZFWJTD-NBVFDPJVSA-N
SMILES [C@@]12([C@]([C@](C(O)(C)C)(CC[C@]2(CC[C@@]([C@]1(O)C)(O)[H])C)[H])(O)[H])[H]